(13C)methanesulfinyl(13C)methane

• ChemBase编号: 135917
• 分子式: C2H6OS
• 平均质量: 80.11874968
• 单一同位素质量: 80.02064549
• SMILES: [13CH3]S(=O)[13CH3]
• Canonical SMILES: [13CH3]S(=O)[13CH3]
• InChI: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1+1,2+1
• InChIKey: IAZDPXIOMUYVGZ-ZDOIIHCHSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C)methanesulfinyl(^1^3C)methane
• IUPAC传统名: (^1^3C)methanesulfinyl(^1^3C)methane
• 别名: 二甲基亚砜-13C2, d6; 二甲基亚砜-13C2; Dimethyl-13C2, d6 sulfoxide; Dimethyl sulfoxide-13C2

登记号

• CAS号: 136321-15-8
• MDL号: MFCD00083946; MFCD12546028
• PubChem SID: 24872087; 162230188
• PubChem CID: 12206145

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.4078656
• LogD (pH = 7.4): -1.4078656
• Log P: -1.4078656
• 摩尔折射率: 20.7254 cm^3
• 极化性: 8.039938 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 18.4 °C(lit.)
• 沸点: 189 °C; 189 °C(lit.)
• 闪点: 179.6 °F; 185 °F; 82 °C; 85 °C
• 密度: 1.129 g/mL at 25 °C; 1.212 g/mL at 25 °C
• 折射率: n20/D 1.479(lit.)
• 质量偏移: M+2; M+8

安全信息

• 德国WGK号: 1

产品相关信息

• 同位素纯度: 99 atom % 13C; 99 atom % D
• Mol. Weight: mol wt 80.10 by atom % calculation; mol wt 86.08 by atom % calculation
• 线性分子式: (13CH3)2SO
• Empirical Formula (Hill Notation): 13C2D6OS

详细说明

Sigma Aldrich - 703133

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 485519

包装
1 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.